02701nas a2200265 4500008004100000022001400041245016000055210006900215260000800284300001100292490000800303520172400311653003002035653003202065653001702097653001902114653003702133100002202170700001902192700001702211700002502228700002602253700002702279856012902306 2020 eng d a0304-389400aUnravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches0 aUnravelling the distinct surface interactions of modified graphe cAPR a1217550 v3883 a

Nanoscopic modifications leading to multi-dimensional graphene structures are known to significantly influence their candidature for several applications including catalysis, energy storage, molecular sensing and most significantly adsorption and remediation of harmful materials such as dyes. The present work attempts to identify the key trajectories that connect the structural qualification with a chosen application, viz., the interactive forces in dye remediation. Various physico-chemically Modified Graphene Nanostructures (MGNs) such as 2 dimensional Graphite, Graphene Oxide (GO), reduced GO (rGO), holey rGO, and 3 dimensional GO hydrogel and Holey GO hydrogel are chosen and synthesised herein. These represent varieties of physicochemical features with respect to their dimensionality, surface features such as oxygen functionality, nanoscopic holes etc., that contribute to their characteristic overall surface interactions. Methylene Blue (MB), a popular industrial effluent posing major environmental concern is chosen to be a probe adsorbate in this case study. An exclusive real time in-situ UV visible spectral experiment provides the revealing reasons behind the outstanding performance of 2D GO sheets with an adsorption capacity of greater than 92 % even at high MB concentrations (>2000 ppm). A complex dependency of various factors such as surface oxygen, morphology, nanoporosity etc. on the unique overall interaction with an adsorbent such as MB by all these adsorbates is demonstrated using experimental and DFT based computational studies. Electrostatics and hydrogen bonding are understood to be the two dominant forces driving the MB adsorption on the best performing GO here.

10aDensity functional theory10aIn-situ UV-vis spectroscopy10aInteractions10aMethylene blue10aModified Graphene Nanostructures1 aManappadan, Zinoy1 aKumar, Shubham1 aJoshi, Krati1 aGovindaraja, Thillai1 aKrishnamurty, Sailaja1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/unravelling-distinct-surface-interactions-modified-graphene-nanostructures-methylene-blue01864nas a2200217 4500008004100000022001400041245014000055210006900195260000800264300001400272490000700286520107500293653002401368653001701392653002301409653002001432100002301452700001901475700002401494856012801518 2025 eng d a1083-616000aAtom-economical and scalable asymmetric synthesis of daridorexant key starting material (S)-2-methylproline via the memory of chirality0 aAtomeconomical and scalable asymmetric synthesis of daridorexant cDEC a3223-32280 v293 a

alpha-Methylproline is a key starting material (KSM) for important drugs, such as Daridorexant, Veliparib, Trofinetide, Enlicitide chloride, and Usnoflast. A practical and scalable asymmetric synthesis of (S)-2-methylproline and its derivatives has been disclosed here using a diketopiperazine intermediate-based strategy that leverages the memory of chirality. Commencing from an inexpensive starting material, l-proline, it proceeds through dimerization and alkylation, followed by hydrolysis under mild conditions, avoiding column chromatography to furnish enantiomerically pure (S)-2-methylproline.HCl, which was also converted to (S)-Boc-2-methylproline and (S)-2-methylproline methyl ester.HCl. In contrast to prior multistep approaches, which rely on expensive chiral auxiliaries and hazardous reagents, this concise three-step route offers operational simplicity, scalability, and superior stereochemical control, making it an attractive method for the synthesis of proline-derived building blocks for peptidomimetics and pharmaceutical applications.

10aalpha-methylproline10aatom economy10amemoryof chirality10aStereoselective1 aBhatt, Gaurang, J.1 aKumar, Shubham1 aMhaske, Santosh, B. uhttps://library.ncl.res.in/content/atom-economical-and-scalable-asymmetric-synthesis-daridorexant-key-starting-material-s-202874nas a2200229 4500008004100000245011900041210006900160260000800229490000700237520206500244653001902309653002302328653001502351653002602366653002302392100001902415700001902434700001902453700002202472700001902494856013102513 2025 eng d00aDeciphering the comprehensive microbiome of glacier-fed Ganges and functional aspects: implications for one health0 aDeciphering the comprehensive microbiome of glacierfed Ganges an cAUG0 v133 a

Glacier-fed rivers are significant ecological components of the river catchments, yet their microbial diversity and the associated antimicrobial potential remain underexplored. The Ganges is a glacier-fed river of immense cultural, religious, and ecological significance that supports over 400 million people downstream, providing essential water for agriculture, industry, and daily use. Despite its importance, the microbial community composition and antimicrobial potential, across its relatively pristine origin, remain largely underexplored. One possible explanation for this could be the lower microbial load in the upstream glacier-fed region, which likely results in a reduced DNA yield, insufficient for whole-metagenome sequencing, in contrast to the more biologically diverse and nutrient-rich lower reaches. In this study, we developed an efficient DNA extraction and amplification method using low-input DNA to sequence the microbiome from sediments of the glacier-fed Ganges River in pre-monsoon and post-monsoon over 2 years. Taxonomic and functional diversity of bacterial and viral (phage) communities were analyzed, together with the seasonal variations in their composition. Significant differences in microbial communities were observed in response to seasonal shifts (P < 0.05). During the dry season, Proteobacteria and Actinobacteria were predominant, while Bacteroidetes and Firmicutes were abundant post-monsoon (P < 0.05). The microbiome harbors potential for the biosynthesis of streptomycin, phenylpropanoid, penicillin, and cephalosporins. Bacteriophages from Podoviridae, Myoviridae, and Siphoviridae showed lytic potential against putrefying and pathogenic bacteria. This first comprehensive study on the glacier-fed Ganges River highlights significant seasonal shifts in microbial diversity. The initial insights into the functional profile of the bacterial and phage diversity offer opportunities to explore various natural compounds and enzymes to tackle antimicrobial resistance under the one-health canopy.

10aBacteriophages10aglacier-fed-Ganges10aMicrobiome10aSecondary metabolites10aspecial properties1 aSamson, Rachel1 aKumar, Shubham1 aDastager, Syed1 aKhairnar, Krishna1 aDharne, Mahesh uhttps://library.ncl.res.in/content/deciphering-comprehensive-microbiome-glacier-fed-ganges-and-functional-aspects-implications02600nas a2200289 4500008004100000245015500041210006900196260000800265300001400273490000600287520161600293100002001909700001801929700001801947700002101965700001701986700001502003700001902018700001902037700002502056700001902081700002002100700001902120700002602139700001902165856012602184 2025 eng d00aLong-term genomic surveillance of SARS-CoV-2 in campus wastewater depicts lineage trends and public health implications during and after omicron waves0 aLongterm genomic surveillance of SARSCoV2 in campus wastewater d cJUN a908–9190 v33 a

SARS-CoV-2 transmission and detection on academic campuses in low- to middle-income countries has not been explored. The present study explored wastewater surveillance of SARS-CoV-2 in a campus setting in Pune, Maharashtra, India, offering insights into variant-specific trends and their correlation with clinical cases over a 2.5 year period from November 2021 to April 2024. We collected 242 wastewater samples from the campus sewershed and processed them to extract RNA and perform RT-qPCR and sequencing, followed by lineage assignment using the LCS tool. Early signals of different SARS-CoV-2 variants, such as BA.2.X, JN.1.X, and KP.2.X, were detected in wastewater prior to its first clinical report in Maharashtra, India. Wastewater viral load strongly correlated with clinical cases during the Omicron phase (ρ = 0.73–0.81) compared to the post-Omicron phase (ρ = −0.06 to 0.31). This study also highlights that alerts and warnings issued on the basis of wastewater viral hikes have proven instrumental in preventing outbreaks of SARS-CoV-2 variants on campus. However, downgrading COVID-19 from pandemic status by the WHO resulted in a subsequent decrease in public vigilance, changing the viral dynamic in the last phase of the study. This study showcases the utility of wastewater surveillance in a campus setting as an early warning system and understands the interplay of public health policy effects in viral dynamics within controlled ecosystems, such as campuses or offices.

1 aPramanik, Rinka1 aRajput, Vinay1 aMalik, Vinita1 aNannaware, Kiran1 aMatra, Sejal1 aJoshi, Sai1 aKumar, Shubham1 aSamson, Rachel1 aYadav, Rakesh, Kumar1 aShah, Priyanki1 aShashidhara, LS1 aDastager, Syed1 aKarmodiya, Krishanpal1 aDharne, Mahesh uhttps://library.ncl.res.in/content/long-term-genomic-surveillance-sars-cov-2-campus-wastewater-depicts-lineage-trends-and